Information card for entry 7060342

Structure parameters

• Formula: C2 H4 Ag N6 O3
• Calculated formula: C2 H4 Ag N6 O3
• Title of publication: A new 3D Ag(i)-based high-energy metal organic frameworks (HE-MOFs): synthesis, crystal structure and explosive performance
• Authors of publication: Zhu, Jiaping; Xu, Jielai; Yao, Chaojian; Zhan, Tong; Liu, Weibing; Tan, Hua
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3552 - 3558
• a: 8.9723 ± 0.0014 Å
• b: 5.0146 ± 0.0008 Å
• c: 14.813 ± 0.002 Å
• α: 90°
• β: 105.854 ± 0.002°
• γ: 90°
• Cell volume: 641.12 ± 0.17 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No